2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide

C22H28N2O3 — CID 54830155

IUPAC2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NC(=O)CNc2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-5-17(4)27-21-12-6-18(7-13-21)23-14-22(25)24-19-8-10-20(11-9-19)26-15-16(2)3/h6-13,17,23H,2,5,14-15H2,1,3-4H3,(H,24,25)
InChIKeyNHXUOEPFHUENDF-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.87
Rot. Bonds10

About 2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide

2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 54830155) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID54830155
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NC(=O)CNc2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-5-17(4)27-21-12-6-18(7-13-21)23-14-22(25)24-19-8-10-20(11-9-19)26-15-16(2)3/h6-13,17,23H,2,5,14-15H2,1,3-4H3,(H,24,25)
InChIKeyNHXUOEPFHUENDF-UHFFFAOYSA-N
XLogP4.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
CID 54830327
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822286
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839201
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54830400
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54830298
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
2-(4-butan-2-yloxyanilino)-N-ethylacetamide
CID 54830292
2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54829963
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
N-(4-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815837
4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17123815

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide (CID 54830155) is 2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1ccc(NC(=O)CNc2ccc(OC(C)CC)cc2)cc1.
What is the InChIKey of 2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is NHXUOEPFHUENDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-17(4)27-21-12-6-18(7-13-21)23-14-22(25)24-19-8-10-20(11-9-19)26-15-16(2)3/h6-13,17,23H,2,5,14-15H2,1,3-4H3,(H,24,25).
What are the key properties of 2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 54830155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).